(5E)-2-methylundeca-5,10-dien-3-amine

C12H23N — CID 20518068

IUPAC(5E)-2-methylundeca-5,10-dien-3-amine
SMILESC=CCCC/C=C/CC(N)C(C)C
InChIInChI=1S/C12H23N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h4,8-9,11-12H,1,5-7,10,13H2,2-3H3/b9-8+
InChIKeyATRMZCGVYVOVIE-CMDGGOBGSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds7

About (5E)-2-methylundeca-5,10-dien-3-amine

(5E)-2-methylundeca-5,10-dien-3-amine (PubChem CID 20518068) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (5E)-2-methylundeca-5,10-dien-3-amine.

Molecular Properties

Compound Name(5E)-2-methylundeca-5,10-dien-3-amine
PubChem CID20518068
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(5E)-2-methylundeca-5,10-dien-3-amine
SMILESC=CCCC/C=C/CC(N)C(C)C
InChIInChI=1S/C12H23N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h4,8-9,11-12H,1,5-7,10,13H2,2-3H3/b9-8+
InChIKeyATRMZCGVYVOVIE-CMDGGOBGSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-methylundeca-5,10-dien-3-amine?
The IUPAC name of (5E)-2-methylundeca-5,10-dien-3-amine (CID 20518068) is (5E)-2-methylundeca-5,10-dien-3-amine.
What is the SMILES notation for (5E)-2-methylundeca-5,10-dien-3-amine?
The canonical SMILES for (5E)-2-methylundeca-5,10-dien-3-amine is C=CCCC/C=C/CC(N)C(C)C.
What is the InChIKey of (5E)-2-methylundeca-5,10-dien-3-amine?
The InChIKey is ATRMZCGVYVOVIE-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H23N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h4,8-9,11-12H,1,5-7,10,13H2,2-3H3/b9-8+.
What are the key properties of (5E)-2-methylundeca-5,10-dien-3-amine?
(5E)-2-methylundeca-5,10-dien-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methylundeca-5,10-dien-3-amine is sourced from PubChem (CID 20518068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).